⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12656384 | 0.70 | — | — | |
| SCHEMBL12655994 | 0.70 | OPRM1 (0.31) | — | |
| SCHEMBL12656407 | 0.65 | — | — | |
| SCHEMBL12656292 | 0.64 | — | — | |
| SCHEMBL2013161 | 0.58 | — | — | |
| SCHEMBL6362043 | 0.55 | — | — | |
| SCHEMBL22679235 | 0.54 | EPHX2 (0.33) | — | |
| SCHEMBL11052483 | 0.54 | CHRM1 (0.30) | — | |
| SCHEMBL14423078 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL27598021 | 0.54 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105612162-A | Thiazolopyrimidinones as modulators of NMDA receptor activity | HOFFMANN LA ROCHE | 2016-05-25 | — | — | CN | disclosed |